![C41H39NO6 1-pirrolidinecarboxylic asid, 2-[[bis (4-methoxyphenyl) phenylm ethoxy] methyl] -4-idroksi-, 9H-fluoren-9-ilmethyl estè, (2s, 4R)-(9 CI, ACI) ACI) ACI) ACI) ACI), ACI)-(9 CI, ACI) ACI, ACI), ACI)-(9R)-9 CI, ACI) ACI) ACI, ACI, ACI), (2R)-(9 CI, ACI) ACI) ACI, ACI, ACI), ACI, ACI)-(9R)-9 CI, ACI) ACI) (2R)-](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C41H39NO6 1-pirrolidinecarboxylic asid, 2-[[bis (4-methoxyphenyl) phenylm ethoxy] methyl] -4-idroksi-, 9H-fluoren-9-ilmethyl Ester, (2s, 4r)-(9 CI, ACI) ACI) Feen, (2R)-](https://cdn.globalso.com/nvchem/C41H39NO6-1-Pyrrolidinecarboxylic-acid.jpg)
C41H39NO6 1-pirrolidinecarboxylic asid, 2-[[bis (4-methoxyphenyl) phenylm ethoxy] methyl] -4-idroksi-, 9H-fluoren-9-ilmethyl estè, (2s, 4R)-(9 CI, ACI) ACI) ACI) ACI) ACI), ACI)-(9 CI, ACI) ACI, ACI), ACI)-(9R)-9 CI, ACI) ACI) ACI, ACI, ACI), (2R)-(9 CI, ACI) ACI) ACI, ACI, ACI), ACI, ACI)-(9R)-9 CI, ACI) ACI) (2R)-
| Kle pwopriyete fizik | Valè | Kondisyon |
| Pwa molekilè | 641.75 | - |
| Pwen bouyi (prevwa) | 768.7 ± 60.0 ° C | Peze: 760 Torr |
| Dansite (prevwa) | 1.237 ± 0.06 g/cm3 | Tanperati: 20 ° C; Peze: 760 Torr |
| PKA (prevwa) | 14.50 ± 0.40 | Pifò asid tanperati: 25 ° C |
Souri kanonyal o = c (occ1c = 2c = cc = cc2c = 3c = cc = cc31) n4cc (o) cc4coc (c = 5c = cc = cc5) (c6 = cc = c (oc) c = c6) c7 = cc = c (oc) c = c7 c7
Smiles izomerik C (OC [C@H] 1N (C (OCC2C = 3C (C = 4C2 = CC = CC4) = CC = CC3) = O) C [C@H] (O) C1) (C5 = CC = C (OC) C = C5) (C6 = C = C (OC) C = C)
Inchi
Inchi = 1S/C41H39NO6/C1-45-33-20-16-29 (17-21-33) 41 (28-10-4-3-5-11-28,30-18-22-34 (46-2) 23-19-30) 48-26-31-24-32 (43) 44)47-27-39-37-14-8-6-12-35(37)36-13-7-9-15-38(36)39/h3-23,31-32,39,43H,24-27H2,1-2H3/t31-,32+/m0/s1
Inchi kle
Qpxskgjqebdwes-aajqtzopksa-n
2 Lòt non pou sibstans sa a
1-pyrolidinecarboxylic asid, 2-[[bis (4-methoxyphenyl) fenilmetoksi] methyl] -4-idroksi-, 9H-fluoren-9-ilmethyl estè, (2s-trans)-(ZCI); 9h-fluoren-9-ilmethyl (2s, 4r) -2-[[bis (4-methoxyphenyl) fenilmetoksi] methyl] -4-idroksi-1-pyrolidinecarboxylate (ACI)
| Pwopriyete ki disponib |
| Biolojik |
| Chimik |
| Densite |
| Lipinski |
| Estrikti ki gen rapò |
| Tèmik |
Biolojik
| Posesyon | Valè | Kondisyon | Sous |
| Faktè bioconcentration | 1.00 x 106 | Ph 1; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.00 x 106 | pH 2; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.00 x 106 | pH 3; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.00 x 106 | pH 4; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.00 x 106 | pH 5; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.00 x 106 | pH 6; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.00 x 106 | pH 7; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.00 x 106 | pH 8; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.00 x 106 | pH 9; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.00 x 106 | pH 10; Tan: 25 ° C | (1) ACD |
(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)
Chimik
| Posesyon | Valè | Kondisyon | Sous |
| Ka | 7.70 x 105 | Ph 1; Tan: 25 ° C | (1) ACD |
| Ka | 7.70 x 105 | pH 2; Tan: 25 ° C | (1) ACD |
| Ka | 7.70 x 105 | pH 3; Tan: 25 ° C | (1) ACD |
| Ka | 7.70 x 105 | pH 4; Tan: 25 ° C | (1) ACD |
| Ka | 7.70 x 105 | pH 5; Tan: 25 ° C | (1) ACD |
| Ka | 7.70 x 105 | pH 6; Tan: 25 ° C | (1) ACD |
| Ka | 7.70 x 105 | pH 7; Tan: 25 ° C | (1) ACD |
| Ka | 7.70 x 105 | pH 8; Tan: 25 ° C | (1) ACD |
| Ka | 7.70 x 105 | pH 9; Tan: 25 ° C | (1) ACD |
| Ka | 7.70 x 105 | pH 10; Tan: 25 ° C | (1) ACD |
| Posesyon | Valè | Kondisyon | Sous |
| Logd | 8.29 | Ph 1; Tan: 25 ° C | (1) ACD |
| Logd | 8.29 | pH 2; Tan: 25 ° C | (1) ACD |
| Logd | 8.29 | pH 3; Tan: 25 ° C | (1) ACD |
| Logd | 8.29 | pH 4; Tan: 25 ° C | (1) ACD |
| Logd | 8.29 | pH 5; Tan: 25 ° C | (1) ACD |
| Logd | 8.29 | pH 6; Tan: 25 ° C | (1) ACD |
| Logd | 8.29 | pH 7; Tan: 25 ° C | (1) ACD |
| Logd | 8.29 | pH 8; Tan: 25 ° C | (1) ACD |
| Logd | 8.29 | pH 9; Tan: 25 ° C | (1) ACD |
| Logd | 8.29 | pH 10; Tan: 25 ° C | (1) ACD |
| logp | 8.289 ± 0.729 | Tan: 25 ° C | (1) ACD |
| Mas solubilite intrinsèques | 4.7 x 10-6 g/l | Tan: 25 ° C | (1) ACD |
| Mas solubility | 4.7 x 10-6 g/l | Ph 1; Tan: 25 ° C | (1) ACD |
| Mas solubility | 4.7 x 10-6 g/l | pH 2; Tan: 25 ° C | (1) ACD |
| Mas solubility | 4.7 x 10-6 g/l | pH 3; Tan: 25 ° C | (1) ACD |
| Mas solubility | 4.7 x 10-6 g/l | pH 4; Tan: 25 ° C | (1) ACD |
| Mas solubility | 4.7 x 10-6 g/l | pH 5; Tan: 25 ° C | (1) ACD |
| Mas solubility | 4.7 x 10-6 g/l | pH 6; Tan: 25 ° C | (1) ACD |
| Mas solubility | 4.7 x 10-6 g/l | pH 7; Tan: 25 ° C | (1) ACD |
| Mas solubility | 4.7 x 10-6 g/l | pH 8; Tan: 25 ° C | (1) ACD |
| Mas solubility | 4.7 x 10-6 g/l | pH 9; Tan: 25 ° C | (1) ACD |
| Mas solubility | 4.7 x 10-6 g/l | pH 10; Tan: 25 ° C | (1) ACD |
| Mas solubility | 4.7 x 10-6 g/l | PH dlo unbuffered 7.00; Tan: 25 ° C | (1) ACD |
| Molar intrinsèques solubility | 7.3 x 10-9 mol/l | Tan: 25 ° C | (1) ACD |
| Solubilite molè | 7.3 x 10-9 mol/l | Ph 1; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 7.3 x 10-9 mol/l | pH 2; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 7.3 x 10-9 mol/l | pH 3; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 7.3 x 10-9 mol/l | pH 4; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 7.3 x 10-9 mol/l | pH 5; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 7.3 x 10-9 mol/l | pH 6; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 7.3 x 10-9 mol/l | pH 7; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 7.3 x 10-9 mol/l | pH 8; Tan: 25 ° C | (1) ACD |
| Posesyon | Valè | Kondisyon | Sous |
| Solubilite molè | 7.3 x 10-9 mol/l | pH 9; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 7.3 x 10-9 mol/l | pH 10; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 7.3 x 10-9 mol/l | PH dlo unbuffered 7.00; Tan: 25 ° C | (1) ACD |
| Pwa molekilè | 641.75 | ||
| pka | 14.50 ± 0.40 | Pifò asid tanperati: 25 ° C | (1) ACD |
| pka | -3.24 ± 0.60 | Pifò debaz tanperati: 25 ° C | (1) ACD |
| Presyon vapè | 7.42 x 10-25 Torr | Tan: 25 ° C | (1) ACD |
(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)
Densite
| Posesyon | Valè | Kondisyon | Sous |
| Densite | 1.237 ± 0.06 g/cm3 | Tanperati: 20 ° C; Peze: 760 Torr | (1) ACD |
| Volim molè | 518.4 ± 3.0 cm3/mol | Tanperati: 20 ° C; Peze: 760 Torr | (1) ACD |
(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Posesyon | Valè | Kondisyon | Sous |
| Lib lib wotasyon | 12 | (1) ACD | |
| H akseptab | 7 | (1) ACD | |
| H donatè | 1 | (1) ACD | |
| H donatè/aksepte sòm | 8 | (1) ACD | |
| logp | 8.289 ± 0.729 | Tan: 25 ° C | (1) ACD |
| Pwa molekilè | 641.75 |
(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)
Estrikti ki gen rapò
| Posesyon | Valè | Kondisyon | Sous |
| Zòn sifas polè | 77.5 A2 | (1) ACD | |
(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)
Tèmik
| Posesyon | Valè | Kondisyon | Sous |
| Pwen bouyi | 768.7 ± 60.0 ° C | Peze: 760 Torr | (1) ACD |
| Enthalpy nan vaporizasyon | 117.42 ± 3.0 kJ/mol | Peze: 760 Torr | (1) ACD |
| Pwen flash | 418.7 ± 32.9 ° C | (1) ACD |
(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)
Spèktr ki disponib
1H NMR
13c NMR
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